SCHEMBL12401688

SCHEMBL12401688

CCCC(NC(C)(C)C)C(=O)C(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
FAAH O00519 3/20 0.45
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MME P08473 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14943230 0.88 HPGD (0.53) HPGDALDH1A1LMNATAS1R3TAS1R1
SCHEMBL12467104 0.87 HPGD (0.52) HPGDALDH1A1LMNATAS1R3TAS1R1
SCHEMBL179087 0.78 LMNA (0.60) ALDH1A1LMNAFAAHRAB9AKDM4E
SCHEMBL5540748 0.75 POLB (0.56) ALDH1A1LMNAFAAHPOLBHSD17B10
SCHEMBL2746737 0.74 POLB (0.53) HPGDALDH1A1LMNAFAAHPOLB
SCHEMBL5191013 0.74 ALDH1A1 (0.60) HPGDALDH1A1LMNAPOLBHSD17B10
SCHEMBL12401726 0.73 CTSK (0.47) RAB9ANPC1KMT2A
SCHEMBL14679303 0.73 ALDH1A1 (0.54) HPGDALDH1A1LMNAFAAHPOLB
SCHEMBL11744707 0.73 HSD17B10 (0.70) HPGDALDH1A1LMNAFAAHPOLB
SCHEMBL24999175 0.73 TAAR1 (0.56) ALDH1A1LMNAPOLBRAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 HPGD 1806/4885ALDH1A1 1374/4885LMNA 2814/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HPGD 1806/4885ALDH1A1 1374/4885LMNA 2814/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 HPGD 1247/4885ALDH1A1 2219/4885LMNA 1534/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HPGD 1824/4885ALDH1A1 1255/4885LMNA 2850/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.